3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole

C11H13N3O2S2 — CID 158191583

IUPAC3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
SMILESCCS(=O)CCOc1nsnc1-c1cccnc1
InChIInChI=1S/C11H13N3O2S2/c1-2-18(15)7-6-16-11-10(13-17-14-11)9-4-3-5-12-8-9/h3-5,8H,2,6-7H2,1H3
InChIKeyFZUYZCDSJPTIAM-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.75
Rot. Bonds6

About 3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole

3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole (PubChem CID 158191583) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
PubChem CID158191583
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
SMILESCCS(=O)CCOc1nsnc1-c1cccnc1
InChIInChI=1S/C11H13N3O2S2/c1-2-18(15)7-6-16-11-10(13-17-14-11)9-4-3-5-12-8-9/h3-5,8H,2,6-7H2,1H3
InChIKeyFZUYZCDSJPTIAM-UHFFFAOYSA-N
XLogP1.75
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
CID 174364537
3-pyridin-3-yl-4-[2-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethoxy]ethoxy]-1,2,5-thiadiazole
CID 10928093
3-[(E)-hex-4-enoxy]-4-pyridin-3-yl-1,2,5-thiadiazole
CID 19075354
N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide
CID 139979245
3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole
CID 19612613
3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
CID 19075239
3-but-1-enoxy-4-pyridin-3-yl-1,2,5-thiadiazole
CID 139697051
1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one
CID 174401992
3-pyridin-3-yl-4-(6,6,6-trifluorohexan-3-yloxy)-1,2,5-thiadiazole
CID 57128366
3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
CID 160628601
3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole
CID 175403000
3-(2-ethylsulfinylethoxy)aniline
CID 61303448

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole?
The IUPAC name of 3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole (CID 158191583) is 3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole.
What is the SMILES notation for 3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole?
The canonical SMILES for 3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole is CCS(=O)CCOc1nsnc1-c1cccnc1.
What is the InChIKey of 3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole?
The InChIKey is FZUYZCDSJPTIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-2-18(15)7-6-16-11-10(13-17-14-11)9-4-3-5-12-8-9/h3-5,8H,2,6-7H2,1H3.
What are the key properties of 3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole?
3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole has a molecular weight of 283.38 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole is sourced from PubChem (CID 158191583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).